Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | HCK | P08631 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6474257 | 0.91 | KMO (0.59) | KMOASIC3EGFRPIK3CDABL1 | |
| SCHEMBL197869 | 0.76 | HTT (0.56) | EGFRBACE1TGFBR1CYP1A2CYP2C19 | |
| SCHEMBL6033615 | 0.74 | DYRK1A (0.62) | KMOASIC3EGFRPIK3CDABL1 | |
| SCHEMBL6033038 | 0.74 | ASIC3 (0.53) | KMOASIC3EGFRPIK3CDABL1 | |
| SCHEMBL28265822 | 0.73 | GSK3B (0.50) | TGFBR1CYP1A2CYP2C19HTTGSK3B | |
| SCHEMBL6033041 | 0.69 | AAK1 (0.46) | KMOASIC3EGFRBACE1BTK | |
| SCHEMBL6033519 | 0.68 | KMO (0.51) | KMOASIC3EGFRPIK3CDABL1 | |
| SCHEMBL8337311 | 0.68 | NPC1 (0.52) | TGFBR1GSK3BFLT3 | |
| SCHEMBL558077 | 0.68 | ASIC3 (0.68) | KMOASIC3PIK3CDABL1SRC | |
| SCHEMBL3391363 | 0.68 | DYRK1A (0.55) | AAK1PIM1PIM3PIM2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685124-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005047279-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |